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(2R)-8-methoxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione

PubChem CID: 10516173

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Compound Synonyms CHEMBL476503
Topological Polar Surface Area 52.6
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 20.0
Isotope Atom Count 0.0
Molecular Complexity 517.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Iupac Name (2R)-8-methoxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
Prediction Hob 1.0
Xlogp 2.9
Molecular Formula C16H14O4
Prediction Swissadme 0.0
Inchi Key NEIDBWCPHCENLG-GFCCVEGCSA-N
Fcsp3 0.25
Logs -4.217
Rotatable Bond Count 2.0
Logd 3.136
Compound Name (2R)-8-methoxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
Prediction Hob Swissadme 0.0
Exact Mass 270.089
Formal Charge 0.0
Monoisotopic Mass 270.089
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 270.28
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -3.4642607999999995
Inchi InChI=1S/C16H14O4/c1-8(2)12-7-10-14(17)9-5-4-6-11(19-3)13(9)15(18)16(10)20-12/h4-6,12H,1,7H2,2-3H3/t12-/m1/s1
Smiles CC(=C)[C@H]1CC2=C(O1)C(=O)C3=C(C2=O)C=CC=C3OC
Nring 3.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Anisomeles Ovata (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Briedelia Ovata (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Carya Ovata (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Casearia Ovata (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Cassia Ovata (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Catalpa Bignonioides (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Catalpa Ovata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Codonopsis Ovata (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Eucalyptus Ovata (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Fimbristylis Ovata (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Gymnosporia Ovata (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Lagenandra Ovata (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Magnolia Ovata (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Plantago Ovata (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Sida Ovata (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Tournefortia Ovata (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Tylophora Ovata (Plant) Rel Props:Reference:
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